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Microstructure and thermodynamics of inhomogeneous polymer blends and solutions.

作者信息

Tripathi Sandeep, Chapman Walter G

机构信息

Department of Chemical Engineering, Rice University, Houston, TX 77005, USA.

出版信息

Phys Rev Lett. 2005 Mar 4;94(8):087801. doi: 10.1103/PhysRevLett.94.087801. Epub 2005 Mar 1.

Abstract

A free energy density functional theory (DFT) for nonuniform polymeric mixtures is proposed based on first order thermodynamic perturbation theory. The segment-density based free energy functional provides an accuracy comparable to the numerically intensive polymeric DFTs while preserving the computational simplicity of an atomic DFT. The presented applications for solutions and blends of branched and linear polymers demonstrate the capability of the theory to capture the entropic and enthalpic effects governing the microstructure.

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